Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11405556 | 0.85 | CYP2D6 (0.41) | CYP2D6CYP2C19OPRM1POLBHDAC3 | |
| SCHEMBL20112851 | 0.78 | HDAC6 (0.38) | CYP2D6CYP2C19OPRM1POLBHDAC3 | |
| SCHEMBL5509028 | 0.77 | POLB (0.55) | OPRM1POLBLMNAALOX15HTT | |
| SCHEMBL3719698 | 0.77 | CYP1A2 (0.48) | CYP2D6CYP2C19OPRM1LMNAGRIN1 | |
| SCHEMBL10598512 | 0.76 | NPC1 (0.56) | HDAC1HDAC6NPC1RAB9ATSHR | |
| SCHEMBL3226743 | 0.76 | KCNH2 (0.49) | CYP2D6CYP2C19OPRM1HDAC3HDAC4 | |
| SCHEMBL9812726 | 0.74 | KCNH2 (0.47) | CYP2D6CYP2C19OPRM1HDAC3HDAC4 | |
| SCHEMBL13739154 | 0.74 | CYP2D6 (0.61) | CYP2D6CYP2C19HDAC3HDAC4HDAC1 | |
| SCHEMBL8011565 | 0.74 | CYP2D6 (0.61) | CYP2D6CYP2C19HDAC3HDAC4HDAC1 | |
| SCHEMBL29174424 | 0.74 | CYP2D6 (0.61) | CYP2D6CYP2C19HDAC3HDAC4HDAC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0116628-B1 | 1-ACYL-3-PYRIDYLMETHYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1989-01-18 | — | — | EP | disclosed |
| EP-0116628-A4 | 1-ACYL-3-PYRIDYLMETHYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS. | RORER INTERNAT OVERSEAS INC (US) | 1985-02-18 | — | — | EP | disclosed |
| US-4496573-A | 1-Pyridylmethyl-3-acyl guanidines | WILLIAM H. RORER, INC. (US) | 1985-01-29 | — | — | US | disclosed |
| EP-0116628-A1 | 1-ACYL-3-PYRIDYLMETHYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS. | RORER INT OVERSEAS (US) | 1984-08-29 | — | — | EP | disclosed |
| WO-1984000963-A1 | 1-ACYL-3-PYRIDYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS | RORER INT OVERSEAS (US) | 1984-03-15 | — | — | WO | disclosed |